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Chemical structure of Oleanolic acid hemiphthalate disodium salt

GC36797

Oleanolic acid hemiphthalate disodium salt

Also known as disodium;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(2-carboxylatobenzoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Oleanolic acid hemiphthalate disodium salt is an anti-inflammatory agent

ChemicalCAS168770-31-8MW648.78FormulaC38H50Na2O6
CAS number
168770-31-8
Molecular weight
648.78
Formula
C38H50Na2O6
Solubility
DMSO： 20·83 mg/mL (32·11 mM)
InChIKey
YBXPMGGHNXZAJS-IAYBDFNWSA-L
Catalogue number
GC36797
Brand
GLPBIO
Computed properties PubChem CID 138454806 · TPSA 107 Ų · H-bond donors 0 · H-bond acceptors 6
TPSA
107 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
46

SMILES C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)[O-])C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)[O-].[Na+].[Na+]

Computed descriptors from PubChem (CID 138454806), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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